==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=20-MAY-2012 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER HYDROLASE 04-MAY-10 3MVV . COMPND 2 MOLECULE: THERMONUCLEASE; . SOURCE 2 ORGANISM_SCIENTIFIC: STAPHYLOCOCCUS AUREUS; . AUTHOR J.A.CARO,J.L.SCHLESSMAN,E.B.GARCIA-MORENO,A.HEROUX . 129 1 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 7480.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 85 65.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 4 3.1 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 30 23.3 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 2 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 3 2.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 7 5.4 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 12 9.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 28 21.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 2 1.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 1 0 0 0 0 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 0 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 2 1 2 0 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 1 0 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 7 A L 0 0 86 0, 0.0 2,-0.4 0, 0.0 64,-0.1 0.000 360.0 360.0 360.0 152.3 1.4 -0.5 -7.7 2 8 A H - 0 0 111 62,-0.4 62,-0.5 63,-0.1 2,-0.5 -0.990 360.0-128.1-139.0 145.6 1.8 -4.1 -6.5 3 9 A K - 0 0 93 -2,-0.4 60,-0.2 60,-0.2 77,-0.1 -0.743 26.0-168.7 -87.2 129.1 2.9 -5.7 -3.3 4 10 A E E -A 62 0A 23 58,-2.7 58,-3.0 -2,-0.5 -2,-0.0 -0.916 26.1-105.8-119.7 147.4 5.6 -8.4 -3.6 5 11 A P E +A 61 0A 102 0, 0.0 17,-0.4 0, 0.0 2,-0.3 -0.285 41.6 167.6 -75.0 150.6 6.7 -10.7 -0.9 6 12 A A E -A 60 0A 12 54,-1.7 54,-0.7 15,-0.1 2,-0.4 -0.963 28.2-124.9-149.4 165.0 10.0 -10.3 0.9 7 13 A T E -D 20 0B 90 13,-2.2 13,-3.3 -2,-0.3 2,-0.2 -0.915 26.7-115.1-116.6 134.9 11.6 -11.8 4.1 8 14 A L E +D 19 0B 49 -2,-0.4 11,-0.2 11,-0.2 3,-0.1 -0.481 33.4 170.9 -65.0 130.9 12.9 -9.8 7.0 9 15 A I E - 0 0 75 9,-2.7 2,-0.3 1,-0.3 10,-0.2 0.781 66.8 -30.1 -98.7 -57.4 16.6 -10.0 7.5 10 16 A K E -D 18 0B 124 8,-1.6 8,-3.1 0, 0.0 -1,-0.3 -0.961 53.6-116.7-160.0 144.9 17.0 -7.3 10.2 11 17 A A E +D 17 0B 21 -2,-0.3 6,-0.2 6,-0.2 3,-0.1 -0.496 30.6 179.0 -69.9 150.2 15.5 -4.1 11.3 12 18 A I - 0 0 79 4,-1.5 2,-0.2 1,-0.5 5,-0.2 0.652 50.9 -37.7-119.8 -63.2 17.9 -1.2 11.0 13 19 A D S S- 0 0 57 3,-2.3 -1,-0.5 33,-0.1 3,-0.4 -0.742 78.9 -60.0-149.8-160.3 16.4 2.1 12.1 14 20 A G S S+ 0 0 0 22,-0.3 77,-0.1 1,-0.2 23,-0.1 0.859 131.9 15.7 -65.8 -28.5 13.1 4.0 12.1 15 21 A D S S+ 0 0 9 20,-0.1 15,-2.6 1,-0.0 2,-0.4 0.213 115.5 73.9-132.6 19.8 12.8 4.2 8.3 16 22 A T E + E 0 29B 6 -3,-0.4 -3,-2.3 13,-0.2 -4,-1.5 -0.998 48.8 169.5-138.5 132.5 15.3 1.6 7.1 17 23 A V E -DE 11 28B 2 11,-2.0 11,-3.5 -2,-0.4 2,-0.5 -0.994 30.0-127.3-140.6 146.4 15.0 -2.2 7.1 18 24 A K E +DE 10 27B 70 -8,-3.1 -9,-2.7 -2,-0.3 -8,-1.6 -0.851 35.0 179.9-101.3 125.0 17.0 -5.0 5.6 19 25 A L E -DE 8 26B 0 7,-3.0 7,-2.7 -2,-0.5 2,-0.7 -0.878 34.7-125.6-126.9 153.7 15.0 -7.5 3.5 20 26 A M E -DE 7 25B 64 -13,-3.3 -13,-2.2 -2,-0.3 2,-0.5 -0.901 38.4-179.4 -96.0 109.0 15.6 -10.6 1.5 21 27 A Y E > - E 0 24B 32 3,-2.9 3,-2.1 -2,-0.7 -15,-0.1 -0.966 66.3 -20.1-123.4 118.8 14.0 -9.7 -1.9 22 28 A K T 3 S- 0 0 165 -2,-0.5 -1,-0.2 -17,-0.4 -16,-0.1 0.862 128.5 -52.4 48.6 39.6 13.9 -12.2 -4.7 23 29 A G T 3 S+ 0 0 47 1,-0.2 -1,-0.3 -3,-0.0 -3,-0.0 0.412 121.5 95.2 86.4 0.6 16.8 -14.0 -3.0 24 30 A Q E < S-E 21 0B 134 -3,-2.1 -3,-2.9 2,-0.0 -1,-0.2 -0.950 78.6-105.7-126.2 147.2 19.1 -11.0 -2.6 25 31 A P E -E 20 0B 78 0, 0.0 2,-0.4 0, 0.0 -5,-0.2 -0.409 36.0-175.8 -70.5 141.1 19.6 -8.6 0.3 26 32 A M E -E 19 0B 32 -7,-2.7 -7,-3.0 -2,-0.1 2,-0.8 -0.997 23.2-145.1-133.0 133.1 18.1 -5.1 -0.0 27 33 A T E -E 18 0B 53 -2,-0.4 49,-2.2 47,-0.3 2,-0.6 -0.871 30.5-155.2 -93.4 106.6 18.4 -2.3 2.5 28 34 A A E -Ef 17 76B 0 -11,-3.5 -11,-2.0 -2,-0.8 2,-0.5 -0.787 10.9-160.8 -93.1 127.7 15.0 -0.7 2.0 29 35 A R E -Ef 16 77B 20 47,-3.3 49,-1.6 -2,-0.6 -13,-0.2 -0.888 29.5-113.0-103.3 131.8 14.5 2.9 2.8 30 36 A L E > - f 0 78B 2 -15,-2.6 3,-0.8 -2,-0.5 49,-0.2 -0.407 31.6-122.1 -69.6 127.4 10.8 3.9 3.4 31 37 A L T 3 S+ 0 0 11 47,-2.4 49,-0.1 1,-0.2 -1,-0.1 -0.345 84.0 9.3 -64.5 145.9 9.4 6.2 0.8 32 38 A L T 3 S+ 0 0 3 69,-0.5 68,-1.6 74,-0.1 2,-0.3 0.504 106.8 94.5 73.3 8.0 7.9 9.7 1.7 33 39 A V E < -H 99 0C 0 -3,-0.8 2,-0.4 66,-0.3 66,-0.2 -0.919 49.9-162.0-133.5 162.9 9.0 9.7 5.3 34 40 A D E -H 98 0C 58 64,-1.8 64,-2.2 -2,-0.3 -3,-0.0 -0.957 10.8-166.2-142.0 118.8 11.8 10.9 7.7 35 41 A T - 0 0 11 -2,-0.4 62,-0.2 62,-0.2 8,-0.1 -0.696 35.4 -96.0 -98.6 157.0 12.3 9.6 11.2 36 42 A P - 0 0 17 0, 0.0 -22,-0.3 0, 0.0 -1,-0.1 -0.294 44.1 -98.5 -65.2 153.8 14.5 11.3 13.7 37 43 A E > - 0 0 119 1,-0.1 3,-2.6 -24,-0.1 6,-0.3 -0.449 37.9-106.4 -58.9 155.1 18.1 10.2 14.1 38 50 A F T 3 S+ 0 0 144 1,-0.3 5,-0.2 5,-0.2 -1,-0.1 0.831 123.8 55.1 -53.8 -33.1 18.7 7.9 17.1 39 51 A N T 3 S+ 0 0 138 4,-0.1 -1,-0.3 2,-0.1 2,-0.3 0.400 98.4 79.9 -84.5 2.6 20.4 10.9 18.8 40 52 A E S X S- 0 0 102 -3,-2.6 3,-2.2 1,-0.1 2,-0.1 -0.709 99.9 -81.4-103.6 160.7 17.3 13.1 18.3 41 53 A K T 3 S+ 0 0 163 -2,-0.3 -1,-0.1 1,-0.3 -2,-0.1 -0.426 119.2 15.9 -59.7 136.6 14.2 13.1 20.3 42 54 A Y T 3> S+ 0 0 36 -2,-0.1 4,-2.3 -4,-0.1 -1,-0.3 0.353 95.1 113.5 78.0 0.1 11.8 10.3 19.3 43 55 A G H <> S+ 0 0 0 -3,-2.2 4,-2.5 -6,-0.3 -5,-0.2 0.946 77.8 42.3 -63.2 -55.2 14.7 8.6 17.4 44 56 A P H > S+ 0 0 48 0, 0.0 4,-2.5 0, 0.0 -1,-0.2 0.865 115.3 52.5 -58.4 -33.7 14.9 5.5 19.7 45 57 A E H > S+ 0 0 100 2,-0.2 4,-2.3 1,-0.2 -2,-0.2 0.891 108.3 49.8 -72.8 -39.1 11.1 5.4 19.7 46 58 A A H X S+ 0 0 0 -4,-2.3 4,-2.3 2,-0.2 5,-0.2 0.948 113.0 46.7 -64.5 -44.4 10.9 5.5 15.9 47 59 A S H X S+ 0 0 22 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.938 112.9 49.3 -62.7 -41.6 13.5 2.6 15.7 48 60 A A H X S+ 0 0 59 -4,-2.5 4,-2.5 1,-0.2 -1,-0.2 0.893 110.2 51.5 -64.7 -41.1 11.7 0.6 18.3 49 61 A F H X S+ 0 0 58 -4,-2.3 4,-2.5 2,-0.2 -1,-0.2 0.941 113.3 42.8 -61.8 -50.7 8.3 1.0 16.5 50 62 A T H X S+ 0 0 0 -4,-2.3 4,-2.6 1,-0.2 5,-0.3 0.927 113.1 53.0 -66.9 -40.3 9.5 -0.1 13.2 51 63 A K H X S+ 0 0 97 -4,-2.6 4,-2.8 -5,-0.2 5,-0.3 0.947 112.3 44.7 -58.9 -48.3 11.6 -3.0 14.6 52 64 A K H X S+ 0 0 138 -4,-2.5 4,-2.2 1,-0.2 -1,-0.2 0.920 112.8 51.5 -65.2 -41.4 8.5 -4.3 16.5 53 65 A M H X S+ 0 0 33 -4,-2.5 4,-0.5 -5,-0.2 -1,-0.2 0.923 117.7 37.1 -61.2 -46.0 6.2 -3.9 13.5 54 66 A V H < S+ 0 0 2 -4,-2.6 3,-0.3 -5,-0.2 -2,-0.2 0.855 116.9 50.2 -78.8 -31.5 8.6 -5.8 11.1 55 67 A E H < S+ 0 0 94 -4,-2.8 -2,-0.2 -5,-0.3 -3,-0.2 0.865 112.4 47.9 -77.2 -33.3 9.8 -8.5 13.5 56 68 A N H < S+ 0 0 114 -4,-2.2 2,-0.2 -5,-0.3 -1,-0.2 0.580 89.2 107.1 -80.2 -8.2 6.2 -9.3 14.6 57 69 A A < - 0 0 20 -4,-0.5 3,-0.1 -3,-0.3 -3,-0.0 -0.499 54.8-159.7 -76.0 139.4 4.8 -9.6 11.1 58 70 A K S S+ 0 0 193 1,-0.2 2,-0.4 -2,-0.2 -1,-0.2 0.872 87.1 29.8 -68.8 -43.5 4.0 -13.0 9.6 59 71 A K - 0 0 113 -52,-0.1 24,-2.9 -54,-0.0 2,-0.4 -0.983 67.0-169.5-131.7 116.6 4.2 -11.5 6.1 60 72 A I E -AB 6 82A 10 -54,-0.7 -54,-1.7 -2,-0.4 2,-0.4 -0.899 12.0-169.9-101.1 141.1 6.3 -8.5 4.9 61 73 A E E -AB 5 81A 21 20,-2.3 20,-2.6 -2,-0.4 2,-0.4 -0.989 13.3-147.4-130.6 150.9 5.7 -7.0 1.5 62 74 A V E -AB 4 80A 0 -58,-3.0 -58,-2.7 -2,-0.4 2,-0.5 -0.922 11.7-173.4-112.3 134.7 7.6 -4.5 -0.7 63 75 A E E - B 0 79A 14 16,-2.6 16,-2.8 -2,-0.4 -60,-0.2 -0.930 9.9-156.2-129.1 111.1 5.7 -2.2 -3.0 64 76 A F - 0 0 11 -2,-0.5 -62,-0.4 -62,-0.5 14,-0.2 -0.441 15.5-129.5 -72.8 156.4 7.8 -0.0 -5.3 65 77 A D - 0 0 4 12,-0.5 41,-0.1 3,-0.3 -1,-0.1 -0.108 33.9 -89.7 -92.5-164.1 6.4 3.2 -6.6 66 78 A K S S+ 0 0 177 39,-0.3 40,-0.2 -2,-0.1 3,-0.1 0.639 104.6 47.4 -87.4 -17.1 6.3 4.3 -10.3 67 79 A G S S- 0 0 34 38,-0.3 39,-0.1 1,-0.3 38,-0.1 0.291 107.2 -7.6-101.6-138.1 9.7 6.1 -10.3 68 80 A Q - 0 0 114 1,-0.1 -3,-0.3 -4,-0.1 -1,-0.3 -0.300 45.1-166.0 -71.0 141.7 13.2 5.2 -9.1 69 81 A R S S+ 0 0 115 1,-0.1 8,-2.5 -3,-0.1 2,-0.4 0.527 73.4 48.8-101.0 -13.5 13.6 2.1 -7.1 70 82 A T B S-G 76 0B 86 6,-0.3 6,-0.2 -42,-0.1 -1,-0.1 -0.980 74.4-140.1-128.8 137.3 17.1 2.8 -5.8 71 83 A D > - 0 0 23 4,-2.5 3,-1.8 -2,-0.4 -2,-0.1 -0.343 38.9 -91.2 -88.1 177.7 18.4 5.9 -4.2 72 84 A K T 3 S+ 0 0 177 1,-0.3 -1,-0.1 2,-0.1 -2,-0.0 0.542 125.7 55.4 -68.0 -5.4 21.8 7.5 -4.7 73 85 A Y T 3 S- 0 0 170 2,-0.1 -1,-0.3 0, 0.0 -3,-0.0 0.392 121.4-103.1-104.5 -1.7 23.2 5.5 -1.7 74 86 A G S < S+ 0 0 62 -3,-1.8 -47,-0.3 1,-0.3 2,-0.3 0.504 76.1 137.5 94.2 8.7 22.2 2.1 -3.2 75 87 A R - 0 0 70 -49,-0.1 -4,-2.5 1,-0.1 -1,-0.3 -0.601 57.4-115.1 -85.7 148.7 19.1 1.6 -0.9 76 88 A G E -fG 28 70B 3 -49,-2.2 -47,-3.3 -2,-0.3 2,-0.5 -0.441 25.4-143.3 -72.3 149.8 15.8 0.3 -2.3 77 89 A L E +f 29 0B 21 -8,-2.5 -12,-0.5 -49,-0.2 2,-0.3 -0.976 41.6 127.8-118.0 117.1 13.0 2.8 -2.1 78 90 A A E -f 30 0B 1 -49,-1.6 -47,-2.4 -2,-0.5 2,-0.5 -0.966 61.1-101.7-153.8 171.5 9.6 1.3 -1.3 79 91 A Y E -B 63 0A 0 -16,-2.8 -16,-2.6 -2,-0.3 2,-0.4 -0.885 42.5-152.6 -95.9 129.6 6.4 1.2 0.8 80 92 A I E -B 62 0A 1 -2,-0.5 7,-3.0 -18,-0.2 8,-0.5 -0.925 7.4-161.0-110.0 133.9 6.8 -1.7 3.2 81 93 A Y E -BC 61 86A 16 -20,-2.6 -20,-2.3 -2,-0.4 2,-0.5 -0.944 6.9-162.4-116.2 142.7 3.8 -3.6 4.6 82 94 A A E > S-BC 60 85A 7 3,-2.8 3,-1.9 -2,-0.4 -22,-0.2 -0.979 83.1 -23.7-127.0 111.5 3.7 -5.8 7.7 83 95 A D T 3 S- 0 0 80 -24,-2.9 -1,-0.1 -2,-0.5 -23,-0.1 0.884 130.1 -48.4 41.1 48.1 0.7 -8.1 7.8 84 96 A G T 3 S+ 0 0 44 -25,-0.4 2,-0.5 1,-0.2 -1,-0.3 0.339 116.0 114.4 85.5 -5.4 -1.1 -5.7 5.5 85 97 A K E < -C 82 0A 146 -3,-1.9 -3,-2.8 -32,-0.1 2,-0.5 -0.839 67.8-125.3-100.2 131.4 -0.3 -2.5 7.5 86 98 A M E > -C 81 0A 8 -2,-0.5 4,-2.4 -5,-0.2 -5,-0.3 -0.635 11.2-155.6 -79.6 124.7 2.0 0.0 5.8 87 99 A V H > S+ 0 0 1 -7,-3.0 4,-2.4 -2,-0.5 5,-0.2 0.904 93.5 56.4 -64.3 -39.4 5.0 0.9 8.0 88 100 A N H > S+ 0 0 0 -8,-0.5 4,-1.7 1,-0.2 -1,-0.2 0.931 111.6 42.0 -58.6 -48.8 5.4 4.2 6.3 89 101 A E H > S+ 0 0 70 1,-0.2 4,-2.8 2,-0.2 -1,-0.2 0.897 112.6 54.1 -64.0 -44.0 1.8 5.3 7.2 90 102 A A H X S+ 0 0 25 -4,-2.4 4,-1.5 1,-0.2 -1,-0.2 0.881 107.8 49.4 -61.6 -45.0 2.0 3.8 10.7 91 103 A L H <>S+ 0 0 0 -4,-2.4 5,-2.6 2,-0.2 6,-0.8 0.939 114.1 45.8 -55.8 -52.3 5.1 5.8 11.6 92 104 A V H ><5S+ 0 0 0 -4,-1.7 3,-1.7 -5,-0.2 -2,-0.2 0.912 110.0 53.2 -57.2 -46.0 3.6 9.0 10.4 93 105 A R H 3<5S+ 0 0 72 -4,-2.8 -1,-0.2 1,-0.3 -2,-0.2 0.824 108.5 51.9 -64.8 -26.0 0.2 8.4 12.1 94 106 A Q T 3<5S- 0 0 77 -4,-1.5 -1,-0.3 -5,-0.2 -2,-0.2 0.453 114.6-115.7 -88.6 4.5 2.1 7.9 15.4 95 107 A G T < 5S+ 0 0 0 -3,-1.7 32,-2.5 -4,-0.3 -3,-0.2 0.778 87.3 116.8 59.4 32.9 4.0 11.1 15.1 96 108 A L S - 0 0 140 -2,-1.0 3,-1.8 3,-0.4 -3,-0.0 -0.816 35.4 -96.8-101.8 142.8 10.0 13.7 -5.2 104 116 A K T 3 S+ 0 0 173 -2,-0.4 -1,-0.1 1,-0.2 0, 0.0 -0.284 108.2 21.3 -55.7 134.3 7.8 13.8 -8.4 105 117 A G T 3 S+ 0 0 44 -38,-0.1 -38,-0.3 1,-0.0 -39,-0.3 0.331 116.2 66.2 87.5 -5.5 7.0 10.4 -9.9 106 118 A N S < S+ 0 0 12 -3,-1.8 -3,-0.4 -40,-0.2 -74,-0.1 -0.360 73.8 94.2-129.6 54.2 7.5 8.5 -6.6 107 119 A N > + 0 0 61 -5,-0.1 3,-2.1 1,-0.1 4,-0.3 0.061 33.7 133.1-134.9 35.8 4.7 10.0 -4.6 108 120 A T T 3 S+ 0 0 72 1,-0.3 3,-0.4 2,-0.1 4,-0.2 0.861 81.5 38.4 -53.6 -45.6 1.7 7.6 -5.0 109 121 A H T 3> S+ 0 0 38 1,-0.2 4,-2.4 2,-0.1 -1,-0.3 0.192 83.0 112.9 -96.0 19.1 0.8 7.4 -1.3 110 122 A E H <> S+ 0 0 44 -3,-2.1 4,-2.5 1,-0.2 5,-0.2 0.931 77.6 46.4 -56.9 -52.7 1.5 11.1 -0.5 111 123 A Q H > S+ 0 0 170 -3,-0.4 4,-2.2 -4,-0.3 -1,-0.2 0.911 112.2 51.6 -57.9 -43.5 -2.1 12.2 0.2 112 124 A L H > S+ 0 0 67 -4,-0.2 4,-1.6 2,-0.2 -1,-0.2 0.916 111.9 45.8 -55.9 -47.6 -2.6 9.1 2.4 113 125 A L H X S+ 0 0 0 -4,-2.4 4,-2.5 1,-0.2 -2,-0.2 0.873 109.4 54.8 -70.3 -34.7 0.5 9.9 4.5 114 126 A R H X S+ 0 0 107 -4,-2.5 4,-2.5 -5,-0.2 -1,-0.2 0.878 105.7 53.6 -65.4 -33.0 -0.4 13.6 4.8 115 127 A K H X S+ 0 0 160 -4,-2.2 4,-1.6 1,-0.2 -1,-0.2 0.909 110.2 47.8 -59.9 -43.0 -3.8 12.5 6.2 116 128 A A H X S+ 0 0 6 -4,-1.6 4,-2.2 2,-0.2 -2,-0.2 0.901 110.5 50.4 -64.4 -43.7 -2.0 10.5 8.7 117 129 A E H X S+ 0 0 28 -4,-2.5 4,-2.6 1,-0.2 -2,-0.2 0.922 105.9 56.9 -62.6 -41.4 0.4 13.3 9.6 118 130 A A H X S+ 0 0 51 -4,-2.5 4,-2.4 1,-0.2 -1,-0.2 0.876 109.5 45.7 -56.0 -43.5 -2.6 15.7 10.0 119 131 A Q H X S+ 0 0 75 -4,-1.6 4,-2.0 2,-0.2 -1,-0.2 0.863 110.9 51.0 -65.9 -43.5 -4.1 13.4 12.7 120 132 A A H <>S+ 0 0 0 -4,-2.2 5,-2.1 2,-0.2 -2,-0.2 0.888 112.7 48.4 -60.8 -36.0 -0.9 12.9 14.5 121 133 A K H ><5S+ 0 0 101 -4,-2.6 3,-1.8 1,-0.2 -2,-0.2 0.949 109.2 51.1 -73.5 -46.5 -0.4 16.7 14.5 122 134 A K H 3<5S+ 0 0 148 -4,-2.4 -1,-0.2 1,-0.3 -2,-0.2 0.832 112.8 47.5 -53.2 -39.9 -4.0 17.3 15.8 123 135 A E T 3<5S- 0 0 81 -4,-2.0 -1,-0.3 -5,-0.1 -2,-0.2 0.422 106.8-130.8 -79.7 -3.1 -3.4 14.8 18.6 124 136 A K T < 5 + 0 0 139 -3,-1.8 2,-0.4 1,-0.2 -3,-0.2 0.853 42.6 178.3 49.4 48.6 -0.0 16.4 19.4 125 137 A L > < - 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